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. 2012 Nov 1;68(Pt 11):o3101-2.
doi: 10.1107/S1600536812042043. Epub 2012 Oct 13.

4-(2-Chloro-phenyl-amino)-pent-3-en-2-one

Gertruida J S Venter  1 , Alice Brink, Gideon Steyl, Andreas Roodt
Affiliations

4-(2-Chloro-phenyl-amino)-pent-3-en-2-one

Gertruida J S Venter et al. Acta Crystallogr Sect E Struct Rep Online. .

Abstract

In the title compound, C(11)H(12)ClNO, intra-molecular N-H⋯O hydrogen bonding is present. The dihedral angle between the benzene ring and the pentenone unit is 46.52 (5)°. In the crystal, C-H⋯O inter-actions between hydrogen atoms of the aryl moiety and two separate oxygen atoms occur, leading to a three-dimensional network.

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Figures

Fig. 1.
Fig. 1.
Molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen atoms are shown as spheres of arbitrary radius.
Fig. 2.
Fig. 2.
Partially filled unit cell illustrating the intra- and intermolecular hydrogen bonding interactions in the title compound, indicated with dashed lines.
See this image and copyright information in PMC

References

    1. Brandenburg, K. & Putz, H. (2005). DIAMOND Crystal Impact GbR, Bonn, Germany.
    1. Brink, A., Visser, H. G., Steyl, G. & Roodt, A. (2010). Dalton Trans. 39, 5572–5578. - PubMed
    1. Bruker (2004). SAINT-Plus and SADABS Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Bruker (2005). APEX2 Bruker AXS Inc., Madison, Wisconsin, USA.
    1. Damoense, L. J., Purcell, W., Roodt, A. & Leipoldt, J. G. (1994). Rhodium Express, 5, 10–13.

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